Molecule

ID:48854

General Information
Structure
Molecular Formula
C₁₀H₂₁ClN₂O
Molecular Mass
220.73954
Exact Mass
220.13424098
Charge
0
InChI
InChI=1S/C10H20N2O.ClH/c1-8-4-6-12(7-5-8)9(13)10(2,3)11;/h8H,4-7,11H2,1-3H3;1H
InChIKey
UCVBIGBMXWWRLV-UHFFFAOYSA-N
Canonic Smiles
CC1CCN(CC1)C(=O)C(N)(C)C.Cl
Isomeric Smiles
C(=O)(N1CCC(CC1)C)C(N)(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.1486993
LogD (pH = 7.4)
-0.62124926
Log P
0.6318493
Molar Refractivity
53.5168
Polarizability
21.152966
Polar Surface Area
46.33
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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